N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine

C62H47NS — CID 144907594

IUPACN-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine
SMILESCc1ccccc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3sc4c(c3c2)CCC=C4)cc1C
InChIInChI=1S/C62H47NS/c1-42-15-9-10-20-53(42)54-36-32-50(39-43(54)2)58-40-49(48-27-25-46(26-28-48)44-16-5-3-6-17-44)31-37-55(58)56-21-11-13-23-60(56)63(51-33-29-47(30-34-51)45-18-7-4-8-19-45)52-35-38-62-59(41-52)57-22-12-14-24-61(57)64-62/h3-11,13-21,23-41H,12,22H2,1-2H3
InChIKeyCHIOFYFREZDSCU-UHFFFAOYSA-N
MW838.13 g/mol
LogP17.95
Rot. Bonds9

About N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine

N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine (PubChem CID 144907594) has the molecular formula C62H47NS and a molecular weight of 838.13 g/mol. Its IUPAC name is N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine
PubChem CID144907594
Molecular FormulaC62H47NS
Molecular Weight838.13 g/mol
Exact Mass837.34
IUPAC NameN-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine
SMILESCc1ccccc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3sc4c(c3c2)CCC=C4)cc1C
InChIInChI=1S/C62H47NS/c1-42-15-9-10-20-53(42)54-36-32-50(39-43(54)2)58-40-49(48-27-25-46(26-28-48)44-16-5-3-6-17-44)31-37-55(58)56-21-11-13-23-60(56)63(51-33-29-47(30-34-51)45-18-7-4-8-19-45)52-35-38-62-59(41-52)57-22-12-14-24-61(57)64-62/h3-11,13-21,23-41H,12,22H2,1-2H3
InChIKeyCHIOFYFREZDSCU-UHFFFAOYSA-N
XLogP17.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.13
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(5,6-dihydronaphthalen-1-yl)phenyl]-N-[4-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170022525
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 172502933
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
N-[4-(3,4-diphenylphenyl)-2-phenylphenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 155122803
N-(4-dibenzothiophen-2-ylphenyl)-4-[4-(4-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]anilino)-3-methylphenyl]-2-methyl-N-[2-(4-phenylphenyl)phenyl]aniline
CID 121323011
N-(3-phenanthren-3-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-8,9-dihydrodibenzothiophen-3-amine
CID 142614622
4-[4-(4-dibenzothiophen-2-yl-N-(2-dibenzothiophen-2-ylphenyl)anilino)-3-methylphenyl]-N-(2-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-methylaniline
CID 121323374
N-(9,9-dimethylfluoren-4-yl)-8-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139498923
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methylphenyl]-6-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121323372
3-methyl-4-[2-methyl-4-(3-phenyl-N-(2-phenylphenyl)anilino)phenyl]-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 121322768

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine?
The IUPAC name of N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine (CID 144907594) is N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine.
What is the SMILES notation for N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine?
The canonical SMILES for N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine is Cc1ccccc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccc2-c2ccccc2N(c2ccc(-c3ccccc3)cc2)c2ccc3sc4c(c3c2)CCC=C4)cc1C.
What is the InChIKey of N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine?
The InChIKey is CHIOFYFREZDSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47NS/c1-42-15-9-10-20-53(42)54-36-32-50(39-43(54)2)58-40-49(48-27-25-46(26-28-48)44-16-5-3-6-17-44)31-37-55(58)56-21-11-13-23-60(56)63(51-33-29-47(30-34-51)45-18-7-4-8-19-45)52-35-38-62-59(41-52)57-22-12-14-24-61(57)64-62/h3-11,13-21,23-41H,12,22H2,1-2H3.
What are the key properties of N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine?
N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine has a molecular weight of 838.13 g/mol, XLogP of 17.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-methyl-4-(2-methylphenyl)phenyl]-4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)-8,9-dihydrodibenzothiophen-2-amine is sourced from PubChem (CID 144907594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).